methyl 3-(3-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(3-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(3-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(3-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(3-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=CC(=C3)C#C)C(=O)OC

Isomeric SMILES

CN1C2CCC1C(C(C2)C3=CC=CC(=C3)C#C)C(=O)OC

InChI

InChI=1S/C18H21NO2/c1-4-12-6-5-7-13(10-12)15-11-14-8-9-16(19(14)2)17(15)18(20)21-3/h1,5-7,10,14-17H,8-9,11H2,2-3H3